Products 685554-68-1
CAS 685554-68-1 is the registry number for Echiumine N-oxide. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate (CAS 685554-68-1) is a chemical compound with the molecular formula C20H31NO7 and a molecular weight of 397.5 g/mol. IUPAC name: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate. InChIKey: MTHHNSCIBYQVSB-HCZJXQIGSA-N.
| Molecular formula | C20H31NO7 |
|---|---|
| Molecular weight | 397.5 g/mol |
| IUPAC name | [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate |
| InChIKey | MTHHNSCIBYQVSB-HCZJXQIGSA-N |
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O)[O-] |
Computed by PubChem (NCBI)
Synonyms:
Echiumine N-oxide, orb3179596